Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'kashimoto' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465744 (2-{3-[2-amino-6-(pyridin-4-yl)-7H- pyrrolo[2,3-d]p...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccncc1 Show InChI InChI=1S/C30H23FN6O2/c31-23-13-19(16-4-5-16)12-18-8-11-37(29(39)26(18)23)25-3-1-2-20(22(25)15-38)27-21-14-24(17-6-9-33-10-7-17)34-28(21)36-30(32)35-27/h1-3,6-14,16,38H,4-5,15H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468314 (2-{3-[2-amino-6- (1,1-dioxido-3,6- dihydro-2H- thi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCS(=O)(=O)CC1 |t:39| Show InChI InChI=1S/C30H26FN5O4S/c31-23-13-19(16-4-5-16)12-18-6-9-36(29(38)26(18)23)25-3-1-2-20(22(25)15-37)27-21-14-24(33-28(21)35-30(32)34-27)17-7-10-41(39,40)11-8-17/h1-3,6-7,9,12-14,16,37H,4-5,8,10-11,15H2,(H3,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465733 (2-[3-(2-amino-6-{4-[(4-methylpiperazin- 1-yl)methy...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(nc(N)nc3[nH]2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)CC1 Show InChI InChI=1S/C37H36FN7O2/c1-43-13-15-44(16-14-43)20-22-5-7-24(8-6-22)31-19-28-34(41-37(39)42-35(28)40-31)27-3-2-4-32(29(27)21-46)45-12-11-25-17-26(23-9-10-23)18-30(38)33(25)36(45)47/h2-8,11-12,17-19,23,46H,9-10,13-16,20-21H2,1H3,(H3,39,40,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468318 (2-(3-{2-amino-6-[1- (methylsulfonyl)- 1,2,3,6- tet...) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C31H29FN6O4S/c1-43(41,42)37-10-7-18(8-11-37)25-15-22-28(35-31(33)36-29(22)34-25)21-3-2-4-26(23(21)16-39)38-12-9-19-13-20(17-5-6-17)14-24(32)27(19)30(38)40/h2-4,7,9,12-15,17,39H,5-6,8,10-11,16H2,1H3,(H3,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468311 (2-{3-[2-amino-6-(4- {[4-(2-hydroxy- ethyl)piperazi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCN(CCO)CC2)cc1 Show InChI InChI=1S/C38H38FN7O3/c39-31-19-27(24-8-9-24)18-26-10-11-46(37(49)34(26)31)33-3-1-2-28(30(33)22-48)35-29-20-32(41-36(29)43-38(40)42-35)25-6-4-23(5-7-25)21-45-14-12-44(13-15-45)16-17-47/h1-7,10-11,18-20,24,47-48H,8-9,12-17,21-22H2,(H3,40,41,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468313 (2-(3-{2-amino-6- [1-(4-methylpiperazine-1- carbony...) Show SMILES CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13| Show InChI InChI=1S/C36H37FN8O3/c1-42-13-15-44(16-14-42)36(48)43-10-7-22(8-11-43)29-19-26-32(40-35(38)41-33(26)39-29)25-3-2-4-30(27(25)20-46)45-12-9-23-17-24(21-5-6-21)18-28(37)31(23)34(45)47/h2-4,7,9,12,17-19,21,46H,5-6,8,10-11,13-16,20H2,1H3,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468315 (2-{3-[2-amino-6- (1-propionyl-1,2,3,6- tetrahydrop...) Show SMILES CCC(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C33H31FN6O3/c1-2-28(42)39-11-8-19(9-12-39)26-16-23-30(37-33(35)38-31(23)36-26)22-4-3-5-27(24(22)17-41)40-13-10-20-14-21(18-6-7-18)15-25(34)29(20)32(40)43/h3-5,8,10,13-16,18,41H,2,6-7,9,11-12,17H2,1H3,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468320 (2-{3-[2-amino-6-(1,2,3,6- tetrahydropyridin-4-yl)-...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCNCC1 |t:39| Show InChI InChI=1S/C30H27FN6O2/c31-23-13-19(16-4-5-16)12-18-8-11-37(29(39)26(18)23)25-3-1-2-20(22(25)15-38)27-21-14-24(17-6-9-33-10-7-17)34-28(21)36-30(32)35-27/h1-3,6,8,11-14,16,33,38H,4-5,7,9-10,15H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM465733 (2-[3-(2-amino-6-{4-[(4-methylpiperazin- 1-yl)methy...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(nc(N)nc3[nH]2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)CC1 Show InChI InChI=1S/C37H36FN7O2/c1-43-13-15-44(16-14-43)20-22-5-7-24(8-6-22)31-19-28-34(41-37(39)42-35(28)40-31)27-3-2-4-32(29(27)21-46)45-12-11-25-17-26(23-9-10-23)18-30(38)33(25)36(45)47/h2-8,11-12,17-19,23,46H,9-10,13-16,20-21H2,1H3,(H3,39,40,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468308 (2-[3-(2-amino-6-{4- [(diethyl- amino)methyl]phenyl...) Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C36H35FN6O2/c1-3-42(4-2)19-21-8-10-23(11-9-21)30-18-27-33(40-36(38)41-34(27)39-30)26-6-5-7-31(28(26)20-44)43-15-14-24-16-25(22-12-13-22)17-29(37)32(24)35(43)45/h5-11,14-18,22,44H,3-4,12-13,19-20H2,1-2H3,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468307 (2-[3-(2-amino-6-{4- [(dimethyl- amino)methyl]pheny...) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H31FN6O2/c1-40(2)17-19-6-8-21(9-7-19)28-16-25-31(38-34(36)39-32(25)37-28)24-4-3-5-29(26(24)18-42)41-13-12-22-14-23(20-10-11-20)15-27(35)30(22)33(41)43/h3-9,12-16,20,42H,10-11,17-18H2,1-2H3,(H3,36,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465748 (2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39| Show InChI InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468312 (2-[3-(2-amino-6-{4- [(3-oxopiperazin-1- yl)methyl]...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCNC(=O)C2)cc1 Show InChI InChI=1S/C36H32FN7O3/c37-28-15-24(21-8-9-21)14-23-10-12-44(35(47)32(23)28)30-3-1-2-25(27(30)19-45)33-26-16-29(40-34(26)42-36(38)41-33)22-6-4-20(5-7-22)17-43-13-11-39-31(46)18-43/h1-7,10,12,14-16,21,45H,8-9,11,13,17-19H2,(H,39,46)(H3,38,40,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468319 (2-{3-[2-amino-6-(1- ethyl-1,2,3,6- tetrahydropyrid...) Show SMILES CCN1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:5| Show InChI InChI=1S/C32H31FN6O2/c1-2-38-11-8-19(9-12-38)26-16-23-29(36-32(34)37-30(23)35-26)22-4-3-5-27(24(22)17-40)39-13-10-20-14-21(18-6-7-18)15-25(33)28(20)31(39)41/h3-5,8,10,13-16,18,40H,2,6-7,9,11-12,17H2,1H3,(H3,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465738 (2-{3-[2-amino-6-(1-methyl-1H-pyrazol- 4-yl)-7H-pyr...) Show SMILES Cn1cc(cn1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C29H24FN7O2/c1-36-13-18(12-32-36)23-11-20-26(34-29(31)35-27(20)33-23)19-3-2-4-24(21(19)14-38)37-8-7-16-9-17(15-5-6-15)10-22(30)25(16)28(37)39/h2-4,7-13,15,38H,5-6,14H2,1H3,(H3,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468309 (2-(3-{2-amino-6-[4- (pyrrolidin-1- ylmethyl)phenyl...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C36H33FN6O2/c37-29-17-25(22-10-11-22)16-24-12-15-43(35(45)32(24)29)31-5-3-4-26(28(31)20-44)33-27-18-30(39-34(27)41-36(38)40-33)23-8-6-21(7-9-23)19-42-13-1-2-14-42/h3-9,12,15-18,22,44H,1-2,10-11,13-14,19-20H2,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468316 (4-{2-amino-4-[3- (6-cyclopropyl-8- fluoro-1-oxoiso...) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H32FN7O3/c1-39(2)33(44)40-11-8-19(9-12-40)26-16-23-29(37-32(35)38-30(23)36-26)22-4-3-5-27(24(22)17-42)41-13-10-20-14-21(18-6-7-18)15-25(34)28(20)31(41)43/h3-5,8,10,13-16,18,42H,6-7,9,11-12,17H2,1-2H3,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468316 (4-{2-amino-4-[3- (6-cyclopropyl-8- fluoro-1-oxoiso...) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H32FN7O3/c1-39(2)33(44)40-11-8-19(9-12-40)26-16-23-29(37-32(35)38-30(23)36-26)22-4-3-5-27(24(22)17-42)41-13-10-20-14-21(18-6-7-18)15-25(34)28(20)31(41)43/h3-5,8,10,13-16,18,42H,6-7,9,11-12,17H2,1-2H3,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468311 (2-{3-[2-amino-6-(4- {[4-(2-hydroxy- ethyl)piperazi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCN(CCO)CC2)cc1 Show InChI InChI=1S/C38H38FN7O3/c39-31-19-27(24-8-9-24)18-26-10-11-46(37(49)34(26)31)33-3-1-2-28(30(33)22-48)35-29-20-32(41-36(29)43-38(40)42-35)25-6-4-23(5-7-25)21-45-14-12-44(13-15-45)16-17-47/h1-7,10-11,18-20,24,47-48H,8-9,12-17,21-22H2,(H3,40,41,42,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468313 (2-(3-{2-amino-6- [1-(4-methylpiperazine-1- carbony...) Show SMILES CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13| Show InChI InChI=1S/C36H37FN8O3/c1-42-13-15-44(16-14-42)36(48)43-10-7-22(8-11-43)29-19-26-32(40-35(38)41-33(26)39-29)25-3-2-4-30(27(25)20-46)45-12-9-23-17-24(21-5-6-21)18-28(37)31(23)34(45)47/h2-4,7,9,12,17-19,21,46H,5-6,8,10-11,13-16,20H2,1H3,(H3,38,39,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468310 (2-(3-{2-amino-6-[4- (piperidin-1- ylmethyl)phenyl]...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C37H35FN6O2/c38-30-18-26(23-11-12-23)17-25-13-16-44(36(46)33(25)30)32-6-4-5-27(29(32)21-45)34-28-19-31(40-35(28)42-37(39)41-34)24-9-7-22(8-10-24)20-43-14-2-1-3-15-43/h4-10,13,16-19,23,45H,1-3,11-12,14-15,20-21H2,(H3,39,40,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468313 (2-(3-{2-amino-6- [1-(4-methylpiperazine-1- carbony...) Show SMILES CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13| Show InChI InChI=1S/C36H37FN8O3/c1-42-13-15-44(16-14-42)36(48)43-10-7-22(8-11-43)29-19-26-32(40-35(38)41-33(26)39-29)25-3-2-4-30(27(25)20-46)45-12-9-23-17-24(21-5-6-21)18-28(37)31(23)34(45)47/h2-4,7,9,12,17-19,21,46H,5-6,8,10-11,13-16,20H2,1H3,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK C481S mutant using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468314 (2-{3-[2-amino-6- (1,1-dioxido-3,6- dihydro-2H- thi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCS(=O)(=O)CC1 |t:39| Show InChI InChI=1S/C30H26FN5O4S/c31-23-13-19(16-4-5-16)12-18-6-9-36(29(38)26(18)23)25-3-1-2-20(22(25)15-37)27-21-14-24(33-28(21)35-30(32)34-27)17-7-10-41(39,40)11-8-17/h1-3,6-7,9,12-14,16,37H,4-5,8,10-11,15H2,(H3,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM465738 (2-{3-[2-amino-6-(1-methyl-1H-pyrazol- 4-yl)-7H-pyr...) Show SMILES Cn1cc(cn1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C29H24FN7O2/c1-36-13-18(12-32-36)23-11-20-26(34-29(31)35-27(20)33-23)19-3-2-4-24(21(19)14-38)37-8-7-16-9-17(15-5-6-15)10-22(30)25(16)28(37)39/h2-4,7-13,15,38H,5-6,14H2,1H3,(H3,31,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468320 (2-{3-[2-amino-6-(1,2,3,6- tetrahydropyridin-4-yl)-...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCNCC1 |t:39| Show InChI InChI=1S/C30H27FN6O2/c31-23-13-19(16-4-5-16)12-18-8-11-37(29(39)26(18)23)25-3-1-2-20(22(25)15-38)27-21-14-24(17-6-9-33-10-7-17)34-28(21)36-30(32)35-27/h1-3,6,8,11-14,16,33,38H,4-5,7,9-10,15H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468313 (2-(3-{2-amino-6- [1-(4-methylpiperazine-1- carbony...) Show SMILES CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13| Show InChI InChI=1S/C36H37FN8O3/c1-42-13-15-44(16-14-42)36(48)43-10-7-22(8-11-43)29-19-26-32(40-35(38)41-33(26)39-29)25-3-2-4-30(27(25)20-46)45-12-9-23-17-24(21-5-6-21)18-28(37)31(23)34(45)47/h2-4,7,9,12,17-19,21,46H,5-6,8,10-11,13-16,20H2,1H3,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50586595 (CHEMBL5083974) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C(=O)CN1CCOCC1 |t:39| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468318 (2-(3-{2-amino-6-[1- (methylsulfonyl)- 1,2,3,6- tet...) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C31H29FN6O4S/c1-43(41,42)37-10-7-18(8-11-37)25-15-22-28(35-31(33)36-29(22)34-25)21-3-2-4-26(23(21)16-39)38-12-9-19-13-20(17-5-6-17)14-24(32)27(19)30(38)40/h2-4,7,9,12-15,17,39H,5-6,8,10-11,16H2,1H3,(H3,33,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50586593 (CHEMBL5076374) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465766 (2-(3-{2-amino-6-[4- (methylsulfonyl)phenyl]- 7H-py...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H26FN5O4S/c1-43(41,42)21-9-7-18(8-10-21)26-15-23-29(36-32(34)37-30(23)35-26)22-3-2-4-27(24(22)16-39)38-12-11-19-13-20(17-5-6-17)14-25(33)28(19)31(38)40/h2-4,7-15,17,39H,5-6,16H2,1H3,(H3,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468308 (2-[3-(2-amino-6-{4- [(diethyl- amino)methyl]phenyl...) Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C36H35FN6O2/c1-3-42(4-2)19-21-8-10-23(11-9-21)30-18-27-33(40-36(38)41-34(27)39-30)26-6-5-7-31(28(26)20-44)43-15-14-24-16-25(22-12-13-22)17-29(37)32(24)35(43)45/h5-11,14-18,22,44H,3-4,12-13,19-20H2,1-2H3,(H3,38,39,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468306 (2-(3-{2-amino-6-[2- (methylamino)pyridin- 4-yl]-7H...) Show SMILES CNc1cc(ccn1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C31H26FN7O2/c1-34-26-13-17(7-9-35-26)24-14-21-28(37-31(33)38-29(21)36-24)20-3-2-4-25(22(20)15-40)39-10-8-18-11-19(16-5-6-16)12-23(32)27(18)30(39)41/h2-4,7-14,16,40H,5-6,15H2,1H3,(H,34,35)(H3,33,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468307 (2-[3-(2-amino-6-{4- [(dimethyl- amino)methyl]pheny...) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H31FN6O2/c1-40(2)17-19-6-8-21(9-7-19)28-16-25-31(38-34(36)39-32(25)37-28)24-4-3-5-29(26(24)18-42)41-13-12-22-14-23(20-10-11-20)15-27(35)30(22)33(41)43/h3-9,12-16,20,42H,10-11,17-18H2,1-2H3,(H3,36,37,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468315 (2-{3-[2-amino-6- (1-propionyl-1,2,3,6- tetrahydrop...) Show SMILES CCC(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C33H31FN6O3/c1-2-28(42)39-11-8-19(9-12-39)26-16-23-30(37-33(35)38-31(23)36-26)22-4-3-5-27(24(22)17-41)40-13-10-20-14-21(18-6-7-18)15-25(34)29(20)32(40)43/h3-5,8,10,13-16,18,41H,2,6-7,9,11-12,17H2,1H3,(H3,35,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465748 (2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39| Show InChI InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468310 (2-(3-{2-amino-6-[4- (piperidin-1- ylmethyl)phenyl]...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C37H35FN6O2/c38-30-18-26(23-11-12-23)17-25-13-16-44(36(46)33(25)30)32-6-4-5-27(29(32)21-45)34-28-19-31(40-35(28)42-37(39)41-34)24-9-7-22(8-10-24)20-43-14-2-1-3-15-43/h4-10,13,16-19,23,45H,1-3,11-12,14-15,20-21H2,(H3,39,40,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465767 (2-{3-[2-amino-6-(6- fluoropyridin-2-yl)-7H- pyrrol...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1cccc(F)n1 Show InChI InChI=1S/C30H22F2N6O2/c31-21-12-17(15-7-8-15)11-16-9-10-38(29(40)26(16)21)24-5-1-3-18(20(24)14-39)27-19-13-23(22-4-2-6-25(32)34-22)35-28(19)37-30(33)36-27/h1-6,9-13,15,39H,7-8,14H2,(H3,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468309 (2-(3-{2-amino-6-[4- (pyrrolidin-1- ylmethyl)phenyl...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C36H33FN6O2/c37-29-17-25(22-10-11-22)16-24-12-15-43(35(45)32(24)29)31-5-3-4-26(28(31)20-44)33-27-18-30(39-34(27)41-36(38)40-33)23-8-6-21(7-9-23)19-42-13-1-2-14-42/h3-9,12,15-18,22,44H,1-2,10-11,13-14,19-20H2,(H3,38,39,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468312 (2-[3-(2-amino-6-{4- [(3-oxopiperazin-1- yl)methyl]...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCNC(=O)C2)cc1 Show InChI InChI=1S/C36H32FN7O3/c37-28-15-24(21-8-9-21)14-23-10-12-44(35(47)32(23)28)30-3-1-2-25(27(30)19-45)33-26-16-29(40-34(26)42-36(38)41-33)22-6-4-20(5-7-22)17-43-13-11-39-31(46)18-43/h1-7,10,12,14-16,21,45H,8-9,11,13,17-19H2,(H,39,46)(H3,38,40,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468317 (2-(3-{2-amino-6-[1- (pyrrolidine-1-carbonyl)- 1,2,...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C(=O)N1CCCC1 |t:39| Show InChI InChI=1S/C35H34FN7O3/c36-27-17-23(20-6-7-20)16-22-10-15-43(33(45)30(22)27)29-5-3-4-24(26(29)19-44)31-25-18-28(38-32(25)40-34(37)39-31)21-8-13-42(14-9-21)35(46)41-11-1-2-12-41/h3-5,8,10,15-18,20,44H,1-2,6-7,9,11-14,19H2,(H3,37,38,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468316 (4-{2-amino-4-[3- (6-cyclopropyl-8- fluoro-1-oxoiso...) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H32FN7O3/c1-39(2)33(44)40-11-8-19(9-12-40)26-16-23-29(37-32(35)38-30(23)36-26)22-4-3-5-27(24(22)17-42)41-13-10-20-14-21(18-6-7-18)15-25(34)28(20)31(41)43/h3-5,8,10,13-16,18,42H,6-7,9,11-12,17H2,1-2H3,(H3,35,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468316 (4-{2-amino-4-[3- (6-cyclopropyl-8- fluoro-1-oxoiso...) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H32FN7O3/c1-39(2)33(44)40-11-8-19(9-12-40)26-16-23-29(37-32(35)38-30(23)36-26)22-4-3-5-27(24(22)17-42)41-13-10-20-14-21(18-6-7-18)15-25(34)28(20)31(41)43/h3-5,8,10,13-16,18,42H,6-7,9,11-12,17H2,1-2H3,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK C481S mutant using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465727 (2-[3-(2-amino-8-phenyl-9H-purin-6-yl)-2-(hydroxyme...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2nc([nH]c2n1)-c1ccccc1 Show InChI InChI=1S/C30H23FN6O2/c31-22-14-19(16-9-10-16)13-18-11-12-37(29(39)24(18)22)23-8-4-7-20(21(23)15-38)25-26-28(36-30(32)34-25)35-27(33-26)17-5-2-1-3-6-17/h1-8,11-14,16,38H,9-10,15H2,(H3,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM465727 (2-[3-(2-amino-8-phenyl-9H-purin-6-yl)-2-(hydroxyme...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2nc([nH]c2n1)-c1ccccc1 Show InChI InChI=1S/C30H23FN6O2/c31-22-14-19(16-9-10-16)13-18-11-12-37(29(39)24(18)22)23-8-4-7-20(21(23)15-38)25-26-28(36-30(32)34-25)35-27(33-26)17-5-2-1-3-6-17/h1-8,11-14,16,38H,9-10,15H2,(H3,32,33,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction of IgM stimulated PLCgamma2 (Y1217) phosphorylation after 24 hrs by western blot assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465748 (2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39| Show InChI InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK C481S mutant using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468320 (2-{3-[2-amino-6-(1,2,3,6- tetrahydropyridin-4-yl)-...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCNCC1 |t:39| Show InChI InChI=1S/C30H27FN6O2/c31-23-13-19(16-4-5-16)12-18-8-11-37(29(39)26(18)23)25-3-1-2-20(22(25)15-38)27-21-14-24(17-6-9-33-10-7-17)34-28(21)36-30(32)35-27/h1-3,6,8,11-14,16,33,38H,4-5,7,9-10,15H2,(H3,32,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468320 (2-{3-[2-amino-6-(1,2,3,6- tetrahydropyridin-4-yl)-...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCNCC1 |t:39| Show InChI InChI=1S/C30H27FN6O2/c31-23-13-19(16-4-5-16)12-18-8-11-37(29(39)26(18)23)25-3-1-2-20(22(25)15-38)27-21-14-24(17-6-9-33-10-7-17)34-28(21)36-30(32)35-27/h1-3,6,8,11-14,16,33,38H,4-5,7,9-10,15H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK C481S mutant using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM465748 (2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39| Show InChI InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair

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